(3S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3S)-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3S)-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C17H27N3O+2 MolecularWeight: 289.41578

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2CC3=CC=CC=C3C[NH2+]2

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]2CC3=CC=CC=C3C[NH2+]2

InChI

InChI=1S/C17H25N3O/c1-2-20-9-5-8-15(20)12-19-17(21)16-10-13-6-3-4-7-14(13)11-18-16/h3-4,6-7,15-16,18H,2,5,8-12H2,1H3,(H,19,21)/p+2/t15-,16-/m0/s1